About 3,17-diphenyl-N,N-bis(4-phenylphenyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-amine;methane;3-(4-naphthalen-1-ylphenyl)-17-(4-naphthalen-2-ylphenyl)-6-N,6-N,14-N,14-N-tetraphenyl-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaene-6,14-diamine;17-phenyl-N,N,3-tris(4-phenylphenyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-amine
3,17-diphenyl-N,N-bis(4-phenylphenyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-amine;methane;3-(4-naphthalen-1-ylphenyl)-17-(4-naphthalen-2-ylphenyl)-6-N,6-N,14-N,14-N-tetraphenyl-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaene-6,14-diamine;17-phenyl-N,N,3-tris(4-phenylphenyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-amine (PubChem CID 162161929) has the molecular formula C176H134N10S9
and a molecular weight of 2677.68 g/mol. Its IUPAC name is 3,17-diphenyl-N,N-bis(4-phenylphenyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-amine;methane;3-(4-naphthalen-1-ylphenyl)-17-(4-naphthalen-2-ylphenyl)-6-N,6-N,14-N,14-N-tetraphenyl-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaene-6,14-diamine;17-phenyl-N,N,3-tris(4-phenylphenyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-amine.
Frequently Asked Questions
What is the IUPAC name of 3,17-diphenyl-N,N-bis(4-phenylphenyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-amine;methane;3-(4-naphthalen-1-ylphenyl)-17-(4-naphthalen-2-ylphenyl)-6-N,6-N,14-N,14-N-tetraphenyl-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaene-6,14-diamine;17-phenyl-N,N,3-tris(4-phenylphenyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-amine?
The IUPAC name of 3,17-diphenyl-N,N-bis(4-phenylphenyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-amine;methane;3-(4-naphthalen-1-ylphenyl)-17-(4-naphthalen-2-ylphenyl)-6-N,6-N,14-N,14-N-tetraphenyl-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaene-6,14-diamine;17-phenyl-N,N,3-tris(4-phenylphenyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-amine (CID 162161929) is 3,17-diphenyl-N,N-bis(4-phenylphenyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-amine;methane;3-(4-naphthalen-1-ylphenyl)-17-(4-naphthalen-2-ylphenyl)-6-N,6-N,14-N,14-N-tetraphenyl-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaene-6,14-diamine;17-phenyl-N,N,3-tris(4-phenylphenyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-amine.
What is the SMILES notation for 3,17-diphenyl-N,N-bis(4-phenylphenyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-amine;methane;3-(4-naphthalen-1-ylphenyl)-17-(4-naphthalen-2-ylphenyl)-6-N,6-N,14-N,14-N-tetraphenyl-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaene-6,14-diamine;17-phenyl-N,N,3-tris(4-phenylphenyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-amine?
The canonical SMILES for 3,17-diphenyl-N,N-bis(4-phenylphenyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-amine;methane;3-(4-naphthalen-1-ylphenyl)-17-(4-naphthalen-2-ylphenyl)-6-N,6-N,14-N,14-N-tetraphenyl-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaene-6,14-diamine;17-phenyl-N,N,3-tris(4-phenylphenyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-amine is C.C.C.C.C.C.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(s3)c3sc5c6sccc6n(-c6ccccc6)c5c3n4-c3ccc(-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(s3)c3sc5c6sccc6n(-c6ccccc6)c5c3n4-c3ccccc3)cc2)cc1.c1ccc(N(c2ccccc2)c2cc3c(s2)c2sc4c5sc(N(c6ccccc6)c6ccccc6)cc5n(-c5ccc(-c6cccc7ccccc67)cc5)c4c2n3-c2ccc(-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 3,17-diphenyl-N,N-bis(4-phenylphenyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-amine;methane;3-(4-naphthalen-1-ylphenyl)-17-(4-naphthalen-2-ylphenyl)-6-N,6-N,14-N,14-N-tetraphenyl-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaene-6,14-diamine;17-phenyl-N,N,3-tris(4-phenylphenyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-amine?
The InChIKey is ZMPIKCHRPOKPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N4S3.C54H35N3S3.C48H31N3S3.6CH4/c1-5-22-51(23-6-1)69(52-24-7-2-8-25-52)61-43-59-65(73-61)67-63(71(59)55-38-34-46(35-39-55)50-33-32-45-18-13-14-20-49(45)42-50)64-68(75-67)66-60(44-62(74-66)70(53-26-9-3-10-27-53)54-28-11-4-12-29-54)72(64)56-40-36-48(37-41-56)58-31-17-21-47-19-15-16-30-57(47)58;1-5-13-36(14-6-1)39-21-27-43(28-22-39)55(44-29-23-40(24-30-44)37-15-7-2-8-16-37)48-35-47-52(59-48)54-50(57(47)45-31-25-41(26-32-45)38-17-9-3-10-18-38)49-53(60-54)51-46(33-34-58-51)56(49)42-19-11-4-12-20-42;1-5-13-32(14-6-1)34-21-25-38(26-22-34)49(39-27-23-35(24-28-39)33-15-7-2-8-16-33)42-31-41-46(53-42)48-44(51(41)37-19-11-4-12-20-37)43-47(54-48)45-40(29-30-52-45)50(43)36-17-9-3-10-18-36;;;;;;/h1-44H;1-35H;1-31H;6*1H4.
What are the key properties of 3,17-diphenyl-N,N-bis(4-phenylphenyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-amine;methane;3-(4-naphthalen-1-ylphenyl)-17-(4-naphthalen-2-ylphenyl)-6-N,6-N,14-N,14-N-tetraphenyl-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaene-6,14-diamine;17-phenyl-N,N,3-tris(4-phenylphenyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-amine?
3,17-diphenyl-N,N-bis(4-phenylphenyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-amine;methane;3-(4-naphthalen-1-ylphenyl)-17-(4-naphthalen-2-ylphenyl)-6-N,6-N,14-N,14-N-tetraphenyl-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaene-6,14-diamine;17-phenyl-N,N,3-tris(4-phenylphenyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-amine has a molecular weight of 2677.68 g/mol, XLogP of 55.87, 25 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3,17-diphenyl-N,N-bis(4-phenylphenyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-amine;methane;3-(4-naphthalen-1-ylphenyl)-17-(4-naphthalen-2-ylphenyl)-6-N,6-N,14-N,14-N-tetraphenyl-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaene-6,14-diamine;17-phenyl-N,N,3-tris(4-phenylphenyl)-7,10,13-trithia-3,17-diazapentacyclo[9.6.0.02,9.04,8.012,16]heptadeca-1(11),2(9),4(8),5,12(16),14-hexaen-6-amine is sourced from PubChem (CID 162161929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).